KEGG   COMPOUND: C14651Help
Entry
C14651                      Compound                               

Name
16alpha,17alpha-Epoxy-3,20-dioxopregn-4-en-21-yl acetate;
16,17-Epoxydeoxycorticosterone acetate
Formula
C23H30O5
Exact mass
386.2093
Mol weight
386.4813
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 21853-83-8
PubChem: 17395651
ChEBI: 34170
NIKKAJI: J225.462J
LinkDB All DBs
KCF data Show

ATOM        28
            1   C1x C    19.8378  -22.0493
            2   C5x C    19.8378  -23.4095
            3   C2x C    21.0157  -24.0895
            4   C2y C    22.1935  -23.4095
            5   C1z C    22.1935  -22.0493
            6   C1x C    21.0157  -21.3692
            7   C1x C    23.3716  -24.0895
            8   C1x C    24.5494  -23.4095
            9   C1y C    24.5494  -22.0493
            10  C1y C    23.3716  -21.3692
            11  C1y C    25.7274  -21.3692
            12  C1z C    25.7274  -20.0092
            13  C1x C    24.5494  -19.3292
            14  C1x C    23.3716  -20.0092
            15  C1x C    28.0831  -21.3692
            16  C1y C    28.0831  -20.0092
            17  C1z C    26.9051  -19.3292
            18  C1a C    25.7544  -18.6491
            19  C5a C    26.9103  -17.9690
            20  C1a C    22.1905  -20.6500
            21  C1b C    28.0936  -17.2920
            22  O2x O    28.1108  -18.6022
            23  O5x O    18.6351  -24.1041
            24  O5a O    25.7122  -17.2711
            25  O7a O    29.3066  -17.9988
            26  C7a C    30.5264  -17.3012
            27  C1a C    31.7460  -18.0123
            28  O6a O    30.5317  -15.8752
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22   17  19 1 #Up
            23    5  20 1 #Up
            24   19  21 1
            25   17  22 1 #Down
            26   16  22 1 #Down
            27    2  23 2
            28   19  24 2
            29   21  25 1
            30   25  26 1
            31   26  27 1
            32   26  28 2

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